2-(4-pyridin-4-yloxybutyl)isoindole-1,3-dione hydrochloride

Systemtic Name: 2-(4-pyridin-4-yloxybutyl)isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-(4-pyridyloxy)butyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-(4-pyridin-4-yloxybutyl)isoindole-1,3-dione hydrochloride IUPAC Name: 2-(4-pyridin-4-yloxybutyl)isoindole-1,3-dione hydrochloride Traditional Name: 2-[4-(4-pyridyloxy)butyl]isoindoline-1,3-quinone hydrochloride Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC3=CC=NC=C3.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC3=CC=NC=C3.Cl

InChI

InChI=1S/C17H16N2O3.ClH/c20-16-14-5-1-2-6-15(14)17(21)19(16)11-3-4-12-22-13-7-9-18-10-8-13;/h1-2,5-10H,3-4,11-12H2;1H